SCHEMBL9548416

SCHEMBL9548416

CCC1C(=CSc2ccncc2)C(C(=O)OCc2ccc(OC)cc2)N2C(=O)[C@H](C(C)O)[C@H]12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.38
FABP7 O15540 1/20 0.31
FABP5 Q01469 1/20 0.31
F10 P00742 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
TBXAS1 P24557 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9548413 1.00 ELANE (0.38) ELANEFABP7FABP5F10MEN1
SCHEMBL10590411 1.00 ELANE (0.38) ELANEFABP7FABP5F10MEN1
SCHEMBL10590408 0.90 ELANE (0.39) ELANEFABP7FABP5F10MEN1
SCHEMBL9548494 0.90 ELANE (0.39) ELANEFABP7FABP5F10MEN1
SCHEMBL9548492 0.90 ELANE (0.39) ELANEFABP7FABP5F10MEN1
SCHEMBL8825898 0.74 ELANE (0.48) ELANEFABP7FABP5MEN1KMT2A
SCHEMBL7806835 0.74 ELANE (0.48) ELANEFABP7FABP5MEN1KMT2A
SCHEMBL9548487 0.72 ELANE (0.44) ELANEF10TBXAS1
SCHEMBL9548455 0.67 ELANE (0.42) ELANEF10KMT2AALDH1A1TBXAS1
SCHEMBL9548456 0.65 ELANE (0.38) ELANEF10KMT2AALDH1A1TBXAS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0336143-B1 A NEW PROCESS FOR CARBAPENEM INTERMEDIATES SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-06-09 EP disclosed
US-4960879-A REACTING SUBSTITUTED AZETIDINONE WITH TRANS SUBSTITUTED-METHYL ALKYLACRYLIC ACID AND REDUCING METAL SHIONOGI & CO., LTD. (JP) 1990-10-02 US disclosed
EP-0336143-A1 A new process for carbapenem intermediates SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1989-10-11 EP disclosed